2-methylbut-3-en-2-yl 7-[(3-nitrophenyl)carbonylamino]-8-oxidanylidene-3-propanoyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 2-methylbut-3-en-2-yl 7-[(3-nitrophenyl)carbonylamino]-8-oxidanylidene-3-propanoyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 1,1-dimethylallyl 7-[(3-nitrobenzoyl)amino]-8-oxo-3-propanoyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(3-nitrophenyl)-oxomethyl]amino]-8-oxo-3-(1-oxopropyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 2-methylbut-3-en-2-yl ester IUPAC Name: 2-methylbut-3-en-2-yl 7-[(3-nitrobenzoyl)amino]-8-oxo-3-propanoyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[(3-nitrobenzoyl)amino]-3-propionyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1,1-dimethylallyl ester Formula: C22H23N3O7S MolecularWeight: 473.49892

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(N2C(C(C2=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])SC1)C(=O)OC(C)(C)C=C

Isomeric SMILES

CCC(=O)C1=C(N2C(C(C2=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])SC1)C(=O)OC(C)(C)C=C

InChI

InChI=1S/C22H23N3O7S/c1-5-15(26)14-11-33-20-16(23-18(27)12-8-7-9-13(10-12)25(30)31)19(28)24(20)17(14)21(29)32-22(3,4)6-2/h6-10,16,20H,2,5,11H2,1,3-4H3,(H,23,27)